SCHEMBL21706850

SCHEMBL21706850

c1ccc(N(c2ccc(-c3cccc4c5c6ccccc6n(-c6ccccc6)c5n(-c5ccccc5)c34)cc2)c2cccnc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MDM2 Q00987 1/20 0.31
MAPK14 Q16539 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21707021 0.91 GFER (0.34) GFERNPSR1CYP17A1CYP1A2L3MBTL1
SCHEMBL21707148 0.89 L3MBTL1 (0.36) L3MBTL1KDM4EATMMAPTHTT
SCHEMBL21706853 0.86 KDM4E (0.34) GFERNPSR1CYP17A1CYP1A2L3MBTL1
SCHEMBL21706872 0.85 MDM2 (0.34) CYP1A2L3MBTL1KDM4EATMHDAC6
SCHEMBL21707149 0.85 ICMT (0.36) CYP1A2L3MBTL1KDM4EATMHDAC6
SCHEMBL21706873 0.84 KDM4E (0.36) CYP1A2L3MBTL1KDM4EATMHDAC6
SCHEMBL21706874 0.84 KDM4E (0.36) GFERNPSR1CYP1A2L3MBTL1KDM4E
SCHEMBL21707000 0.82 NR3C1 (0.35) NPSR1MAPTMAPK14ALDH1A1KMT2A
SCHEMBL21706851 0.79 KDM4E (0.36) GFERNPSR1L3MBTL1KDM4EATM
SCHEMBL16484586 0.79 CYP11B2 (0.35) GFERNPSR1L3MBTL1KDM4EATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200052223-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200052223-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 GFER 3175/4885NPSR1 4395/4885CYP17A1 492/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.